5-phenyl-2-(quinolin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-(quinolin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-(2-quinolylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[(2-quinolinylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-(quinolin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(2-quinolylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H15N3OS2 MolecularWeight: 401.504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H15N3OS2/c26-21-20-16(14-6-2-1-3-7-14)12-28-22(20)25-18(24-21)13-27-19-11-10-15-8-4-5-9-17(15)23-19/h1-12H,13H2,(H,24,25,26)